Isophthalic acid, dodecyl methyl ester
TL;DR: Isophthalic acid, dodecyl methyl ester (CAS 33975-26-7) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-dodecyl 1-O-methyl benzene-1,3-dicarboxylate
Also Known As: Isophthalic acid, dodecyl methyl ester, 1-Dodecyl 3-methyl isophthalate #, Isophthalicacid1-dodecyl3-methylester, Isophthalic acid 1-dodecyl 3-methyl ester, 1-dodecyl 3-methyl benzene-1,3-dicarboxylate
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 33975-26-7 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=CC(=C1)C(=O)OC |
| InChIKey | ORSGNGAZCWFZMX-UHFFFAOYSA-N |
Product Overview
Isophthalic acid, dodecyl methyl ester (CAS 33975-26-7), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 3-O-dodecyl 1-O-methyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Isophthalic acid, dodecyl methyl ester
Property Insights of Isophthalic acid, dodecyl methyl ester
The XLogP value of 7.7 indicates that Isophthalic acid, dodecyl methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Isophthalic acid, dodecyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophthalic acid, dodecyl methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isophthalic acid, dodecyl methyl ester?
The CAS number of Isophthalic acid, dodecyl methyl ester is 33975-26-7.
What is the molecular formula of Isophthalic acid, dodecyl methyl ester?
The molecular formula of Isophthalic acid, dodecyl methyl ester is C21H32O4.
What is the molecular weight of Isophthalic acid, dodecyl methyl ester?
The molecular weight of Isophthalic acid, dodecyl methyl ester is 348.23 g/mol.
Where can I buy Isophthalic acid, dodecyl methyl ester?
You can request a quote for Isophthalic acid, dodecyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthalic acid, dodecyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isophthalic acid, dodecyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.